methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate

Systemtic Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate CAS Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester Formula: C29H39NO4 MolecularWeight: 465.62426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)OC)CC(C)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)OC)CC(C)C

InChI

InChI=1S/C29H39NO4/c1-5-6-16-33-17-18-34-27-12-9-23(10-13-27)24-11-14-28-26(19-24)20-25(29(31)32-4)8-7-15-30(28)21-22(2)3/h9-14,19-20,22H,5-8,15-18,21H2,1-4H3/b25-20+